| SpectraBase Spectrum ID |
F4Km09AXW2J |
| Name |
(E)-3-(2,2-Dimethyl-1,3-dioxan-5-yl)-2-propenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-4-13-10(12)6-5-9-7-14-11(2,3)15-8-9/h5-6,9H,4,7-8H2,1-3H3/b6-5+ |
| InChIKey |
PYTUHSZJDMXFHR-AATRIKPKSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
C1(OCC(\C=C\C(=O)OCC)CO1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875846 |
